7-piperidin-4-yl-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C15H16N4OS — CID 137018249

IUPAC7-piperidin-4-yl-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(-c3cccs3)c2[nH]1
InChIInChI=1S/C15H16N4OS/c20-14-8-12(10-3-5-16-6-4-10)19-15(18-14)11(9-17-19)13-2-1-7-21-13/h1-2,7-10,16H,3-6H2,(H,18,20)
InChIKeyOXNMSHURNHMOGT-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.22
Rot. Bonds2

About 7-piperidin-4-yl-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

7-piperidin-4-yl-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018249) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 7-piperidin-4-yl-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-piperidin-4-yl-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018249
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name7-piperidin-4-yl-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(-c3cccs3)c2[nH]1
InChIInChI=1S/C15H16N4OS/c20-14-8-12(10-3-5-16-6-4-10)19-15(18-14)11(9-17-19)13-2-1-7-21-13/h1-2,7-10,16H,3-6H2,(H,18,20)
InChIKeyOXNMSHURNHMOGT-UHFFFAOYSA-N
XLogP2.22
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-4-(thiophen-2-yl)-4H,5H,7H-pyrazolo[3,4-b]pyridin-6-one
CID 135632516
US10118930, Example 258
CID 137018306
US10118930, Example 259
CID 137018420
US10118930, Example 25
CID 137018450
US10118930, Example 66
CID 137018486
US10118930, Example 250
CID 137018627
US10118930, Example 68
CID 137018655
US10118930, Example 373
CID 137018669
N-benzyl-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3133824
N-benzyl-N-methyl-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3133831
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18156032
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpyrazol-3-yl)acetamide
CID 71934228

Frequently Asked Questions

What is the IUPAC name of 7-piperidin-4-yl-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-piperidin-4-yl-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018249) is 7-piperidin-4-yl-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-piperidin-4-yl-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-piperidin-4-yl-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=c1cc(C2CCNCC2)n2ncc(-c3cccs3)c2[nH]1.
What is the InChIKey of 7-piperidin-4-yl-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is OXNMSHURNHMOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c20-14-8-12(10-3-5-16-6-4-10)19-15(18-14)11(9-17-19)13-2-1-7-21-13/h1-2,7-10,16H,3-6H2,(H,18,20).
What are the key properties of 7-piperidin-4-yl-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
7-piperidin-4-yl-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 300.39 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-4-yl-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).